2,2',3,3',4,5',6'-Heptachlorodiphenyl ether
Basic information
- CAS
83992-71-6- Standard SMILES
Clc1ccc(Oc2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl- InChIKey
RXPQVFMDOJTCKE-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7O
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 407.800359
Names & identifiers
- Preferred name
- 2,2',3,3',4,5',6'-Heptachlorodiphenyl ether
- IUPAC
- 1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenoxy)benzene
Names & synonyms
2,2',3,3',4,5',6'-Heptachlorodiphenyl ether1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenoxy)benzeneUNII-7AII6HI6917AII6HI69183992-71-6PCDE 177DTXSID50232874RefChem:80544DTXCID801553652,3,4,2',3',5',6'-heptachlorodiphenyl etherQ27266833
Database identifiers
- CAS
83992-71-6- PubChem CID
- 93479
- DTXSID
DTXSID50232874- UNII
- 7AII6HI691
- Nikkaji
- J1.596.239I
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP7.14
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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